(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene

C11H18O2 — CID 134993637

IUPAC(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
SMILESCC[C@@H]1CC[C@]2(C=CCCO2)OC1
InChIInChI=1S/C11H18O2/c1-2-10-5-7-11(13-9-10)6-3-4-8-12-11/h3,6,10H,2,4-5,7-9H2,1H3/t10-,11+/m1/s1
InChIKeyVOPNSLXZOGQCTP-MNOVXSKESA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds1

About (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene

(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene (PubChem CID 134993637) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
PubChem CID134993637
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
SMILESCC[C@@H]1CC[C@]2(C=CCCO2)OC1
InChIInChI=1S/C11H18O2/c1-2-10-5-7-11(13-9-10)6-3-4-8-12-11/h3,6,10H,2,4-5,7-9H2,1H3/t10-,11+/m1/s1
InChIKeyVOPNSLXZOGQCTP-MNOVXSKESA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
8a-Methoxy-4a,5,6,7,8,8a-hexahydrochromene
CID 129871280
5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol
CID 134897923
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114
2,2-Dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832116
7,9-Dioxadispiro[5.1.58.26]pentadec-14-ene
CID 14983154

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene?
The IUPAC name of (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene (CID 134993637) is (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene.
What is the SMILES notation for (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene?
The canonical SMILES for (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene is CC[C@@H]1CC[C@]2(C=CCCO2)OC1.
What is the InChIKey of (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene?
The InChIKey is VOPNSLXZOGQCTP-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O2/c1-2-10-5-7-11(13-9-10)6-3-4-8-12-11/h3,6,10H,2,4-5,7-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene?
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene has a molecular weight of 182.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene is sourced from PubChem (CID 134993637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).